Basic information
- CAS
51980-53-1- Standard SMILES
C=C1N(C)c2ccc(NC(=O)CCl)cc2C1(C)C- InChIKey
LQAYFOAWQOGESO-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- 5-Chloroacetamido-2-methylene-1,3,3-trimethylindoline
- IUPAC
- 2-chloro-N-(1,3,3-trimethyl-2-methylideneindol-5-yl)acetamide
- English name
- 5-Chloroacetamido-2-methylene-1,3,3-trimethylindoline
- Molecular formula
- C14H17ClN2O
- Molecular weight
- 264.75
Names & synonyms
51980-53-15-CHLOROACETAMIDO-2-METHYLENE-1,3,3-TRIMETHYLINDOLINE2-chloro-N-(1,3,3-trimethyl-2-methylideneindol-5-yl)acetamide2-Chloro-N-(1,3,3-trimethyl-2-methyleneindolin-5-yl)acetamide2-Chloro-N-(2,3-dihydro-1,3,3-trimethyl-2-methylene-1H-indol-5-yl)acetamideSCHEMBL6468580DTXSID10563555DB-3066912-Chloro-N-(1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indol-5-yl)acetamideacetaMide, 2-chloro-N-(2,3-dihydro-1,3,3-triMethyl-2-Methylene-1H-indol-5-yl)
Database identifiers
- CAS
51980-53-1- PubChem CID
- 14745342
- DTXSID
DTXSID10563555
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 108 · 108-114°C (dec.)
- storage temp.
- Refrigerator, Under Inert Atmosphere
- solubility
- DMF, DMSO, Ethanol, Methanol
- form
- Solid
- color
- Purple
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 29339900 · 29339900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Chloroacetamido-2-methylene-1,3,3-trimethylindoline (cas# 51980-53-1) is a compound useful in organic synthesis.
Suppliers8 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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